4-(2-butoxyethoxy)phenylboric acid | 313747-57-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(2-butoxyethoxy)phenylboric acid
• 英文别名: [4-(2-butoxyethoxy)phenoxy]boronic acid
• CAS: 313747-57-8
• 化学式: C₁₂H₁₉BO₅
• 分子量: 254.091
• InChiKey: RNZPFPJPWDHPIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.23
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  68.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl (2E)-3-(2-azocan-1-yl-5-bromophenyl)acrylate 、 4-(2-butoxyethoxy)phenylboric acid 在 四(三苯基膦)钯 potassium carbonate 作用下， 以 乙醇 、 水 、 甲苯 、 环己亚胺 为溶剂， 反应 7.0h， 生成 ethyl (2E)-3-[4-azocan-1-yl-4'-(2-butoxyethoxy)-1,1'-biphenyl-3-yl]acrylate
  参考文献：
  名称：

  ACRYLAMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE

  摘要：

  一种化合物，其化学式表示为：其中R1是一个5-或6-成员环；R3是氢原子、较低的烷基或较低的烷氧基；R7和R8分别是氢原子或较低的烷基；Z1是另一个5-或6-成员芳香环；Z2是一个由-Z2a-W1-Z2b-表示的基团[其中Z2a和Z2b分别是O、S(O)m（其中m为0、1或2）、亚胺基或键，W1是一个烷基链]；X是CR（其中R是氢原子、较低的烷基、较低的烷氧基、酰基，或R和相邻的R4可能形成5-或6-成员脂环杂环基）或N；R4是NR5R6（其中R5和R6分别是氢原子、烃基、杂环基或酰基），或R5和R6相互连接形成NR5R6的杂环基；R2是（1）可能是季铵盐或氧化物的氨基团，（2）可能包含硫原子或氧原子作为构成环的原子的含氮杂环基，其中氮原子可以转化为季铵盐或氧化物，或类似物；或其盐。该化合物具有出色的CCR5拮抗活性，因此可用作预防和/或治疗HIV感染进入人类外周血单核细胞，特别是艾滋病的药物。

  公开号：

  EP1593673A1

文献信息

• Fused-ring pyridine derivative, process for producing the same, and use
  申请人：Shiraishi Mitsuru

  公开号：US20060100197A1

  公开（公告）日：2006-05-11

  The present invention provides a compound represented by the formula: wherein R 1 is a 5- or 6-membered ring which may be substituted; R 3 is a hydrogen atom, a lower alkyl group or a lower alkoxy group; Z 1 is a 5- or 6-membered aromatic ring; Z 2 is a group represented by -Z 2a -W 2 -Z 2b wherein Z 2a and Z 2b are each O, S(O) m (wherein m is 0, 1 or 2), an imino group, or a bond; and W 2 is an alkylene chain which may be substituted; n is an integer of 0 to 4; Y is O, S(O) p (wherein p is 0, 1 or 2), CH 2 or NR 4 (wherein R 4 is a hydrogen atom, a hydrocarbon group, a heterocyclic group, or an acyl group); and R 2 is (1) an amino group, in which the nitrogen atom is converted to quaternary ammonium or oxide, (2) a nitrogen-containing heterocyclic group which may contain a sulfur atom or an oxygen atom as a ring-constituting atom, in which the nitrogen atom may be converted to a quaternary ammonium or an oxide, and the like, or a salt thereof. The compound has excellent CCR5 antagonist activity and is useful as a prophylactic and/or therapeutic medicine for HIV infection in human peripheral mononuclear blood cells, especially AIDS.

  本发明提供了一种化合物，其表示为以下式子：其中，R1是一个可能被取代的5或6元环；R3是氢原子、低碳基或低氧基基团；Z1是一个5或6元芳香环；Z2是一个由-Z2a-W2-Z2b表示的基团，其中Z2a和Z2b分别是O、S（O）m（其中m为0、1或2）、亚胺基或键；W2是一个可能被取代的烷基链；n是0到4的整数；Y是O、S（O）p（其中p为0、1或2）、CH2或NR4（其中R4是氢原子、碳氢基团、杂环基团或酰基）；以及R2是（1）一个氨基基团，其中氮原子被转化成季铵或氧化物，（2）一个含氮杂环基团，其中可能含有硫原子或氧原子作为环构成原子，其中氮原子可以被转化为季铵或氧化物等，或其盐。该化合物具有优异的CCR5拮抗活性，并可用作人体外周单核细胞HIV感染的预防和/或治疗药物，特别是艾滋病。
• Bicyclic compound, production and use thereof
  申请人：——

  公开号：US20040259876A1

  公开（公告）日：2004-12-23

  The present invention provides a new cyclic compound having a CCR antagonist activity, especially a CCR5 antagonist activity, and the use thereof. The compound of the present invention is represented by the formula: 1 wherein, R 1 is a 5- to 6-membered ring group which may be substituted; X 1 is a bond or the like; ring A is a 5- to 6-membered ring group which may be substituted; ring B is a 8- to 10-membered ring group which may be substituted; X 2 is a bivalent group of 1 to 4 atoms; Z 1 is a bivalent cyclic ring group or the like; Z 2 is a bond or the like; and R 2 is an amino group, a nitrogen-containing heterocyclic group which may be substituted or the like, or a salt thereof.

  本发明提供了一种具有CCR拮抗剂活性，特别是CCR5拮抗剂活性的新型环状化合物以及其用途。本发明的化合物由下式表示：1其中，R1是一个可被取代的5-至6-成员环基团；X1是一个键或类似物；环A是一个可被取代的5-至6-成员环基团；环B是一个可被取代的8-至10-成员环基团；X2是1至4个原子的双价基团；Z1是一个双价环状基团或类似物；Z2是一个键或类似物；R2是氨基、含氮杂环基团（可被取代）或类似物的盐。
• Acrylamide derivative, process for producing the same, and use
  申请人：Shiraishi Mitsuru

  公开号：US20060160864A1

  公开（公告）日：2006-07-20

  A compound represented by the formula: wherein R 1 is a 5- or 6-membered ring; R 3 is a hydrogen atom, a lower alkyl group or a lower alkoxy group; R 7 and R 8 are each a hydrogen atom or a lower alkyl group; Z 1 is another 5- or 6-membered aromatic ring; Z 2 is a group represented by -Z 2a -W 1 -Z 2b - [wherein Z 2a and Z 2b are each O, S(O) m (wherein m is 0, 1 or 2), an imino group or a bond, and W 1 is an alkylene chain]; X is CR (wherein R is a hydrogen atom, a lower alkyl group, a lower alkoxy group, an acyl group, or R and adjacent R 4 may form a 5- or 6-membered alicyclic heterocyclic group) or N; R 4 is NR 5 R 6 (wherein R 5 and R 6 are each a hydrogen atom, a hydrocarbon group, a heterocyclic group or an acyl group), or R 5 and R 6 are bonded to each other to form a heterocyclic group of NR 5 R 6 ; and R 2 is (1) an amino group which may be a quaternary ammonium or oxide, (2) a nitrogen-containing heterocyclic group which may contain a sulfur atom or an oxygen atom as the ring-constituting atom, in which the nitrogen atom may be converted to a quaternary ammonium or an oxide, or the like; or a salt thereof. The compound has excellent CCR5 antagonistic activity and thus is useful as a prophylactic and/or therapeutic medicine for HIV infection into human peripheral blood monocyte, especially for AIDS.

  该化合物的化学式为：其中R1是一个5-或6-成员环；R3是氢原子，低烷基或低烷氧基；R7和R8分别是氢原子或低烷基；Z1是另一个5-或6-成员芳香环；Z2是一个由-Z2a-W1-Z2b-表示的基团[其中Z2a和Z2b分别是O，S（O）m（其中m为0，1或2），亚胺基或键，W1是一个烷基链]；X为CR（其中R为氢原子，低烷基，低烷氧基，酰基或R和相邻的R4可能形成一个5-或6-成员脂环杂环基）或N；R4为NR5R6（其中R5和R6分别是氢原子，碳氢基团，杂环基或酰基），或R5和R6连接在一起形成一个NR5R6的杂环基；R2是（1）可能是季铵盐或氧化物的氨基基团，（2）可能包含硫原子或氧原子作为环构成原子的含氮杂环基团，在该基团中，氮原子可以转化为季铵盐或氧化物，或类似物；或其盐。该化合物具有优异的CCR5拮抗活性，因此可用作预防和/或治疗人外周血单核细胞HIV感染，特别是艾滋病的药物。
• Tricyclic compound, process for producing the same, and use
  申请人：Shiraishi Mitsuru

  公开号：US20060178359A1

  公开（公告）日：2006-08-10

  A compound of the formula: wherein R 1 is a 5- or 6-membered ring; Z 1 is a 5- or 6-membered aromatic ring; Z 2 is a group -Z 2a -W 2 -Z 2b -, wherein Z 2a and Z 2b are each O, S(O) q (wherein q is 0, 1 or 2), an imino group, or a bond; and W 2 is an alkylene chain; W is a group represented by wherein R 3 and R 3′ are each a hydrogen atom, a lower alkyl group, or a lower alkoxy group; X is CH or N; n and n′ are each an integer of 0 or 1 to 4; m and m′ are each 1 or 2; Y is O, S(O) p (wherein p is 0, 1 or 2), CH 2 or NR 4 (wherein R 4 is a hydrogen atom, a lower alkyl group, or a lower acyl group); and R 2 is (1) an amino group, in which the nitrogen atom may be converted to a quaternary ammonium or an oxide, or (2) a nitrogen-containing heterocyclic group which may contain a sulfur atom or an oxygen atom as the ring-constituting atom, in which the nitrogen atom may be converted to a quaternary ammonium or an oxide; or a salt thereof. The compound exhibits excellent CCR antagonist activity against CCR5, and is useful as a prophylactic and/or therapeutic agent for HIV infection in human peripheral blood mononuclear cells, especially for AIDS.

  一种化合物的化学式：其中R1是一个5-或6-成员环；Z1是一个5-或6-成员芳香环；Z2是一个-Z2a-W2-Z2b-基团，其中Z2a和Z2b分别是O、S(O)q（其中q为0、1或2）、亚胺基或键；W2是一个烷基链；W是一个由表示的基团，其中R3和R3'分别是氢原子、低烷基基团或低烷氧基基团；X是CH或N；n和n'分别是0或1至4的整数；m和m'分别是1或2；Y是O、S(O)p（其中p为0、1或2）、CH2或NR4（其中R4是氢原子、低烷基基团或低酰基基团）；以及R2是（1）氨基，其中氮原子可以转化为季铵盐或氧化物，或（2）含氮杂环基团，该杂环基团可以包含硫原子或氧原子作为构成环的原子，其中氮原子可以转化为季铵盐或氧化物；或其盐。该化合物在CCR5上表现出优异的CCR拮抗活性，并且可用作人类外周血单个核细胞中HIV感染的预防和/或治疗剂，特别是用于艾滋病。
• Bicyclic Compound, Production and Use Thereof
  申请人：Shiraishi Mitsuru

  公开号：US20090030032A1

  公开（公告）日：2009-01-29

  The present invention provides a new cyclic compound having a CCR antagonist activity, especially a CCR5 antagonist activity, and the use thereof. The compound of the present invention is represented by the formula: wherein, R 1 is a 5- to 6-membered ring group which may be substituted; X 1 is a bond or the like; ring A is a 5- to 6-membered ring group which may be substituted; ring B is a 8- to 10-membered ring group which may be substituted; X 2 is a bivalent group of 1 to 4 atoms; Z 1 is a bivalent cyclic ring group or the like; Z 2 is a bond or the like; and R 2 is an amino group, a nitrogen-containing heterocyclic group which may be substituted or the like, or a salt thereof.

  本发明提供了一种具有CCR拮抗剂活性的新环状化合物，特别是CCR5拮抗剂活性，以及其用途。本发明的化合物由下式表示：其中，R1是一个5-至6-成员环基团，可以被取代；X1是一个键或类似物；环A是一个5-至6-成员环基团，可以被取代；环B是一个8-至10-成员环基团，可以被取代；X2是1至4个原子的二价基团；Z1是二价环状环基团或类似物；Z2是一个键或类似物；R2是氨基、含氮杂环基团（可以被取代）或类似物的盐。